Compound Identification
SMILES
COC1=CC2=C(C=C1)C(COC1=C(C=C(C=C1)S(=O)(=O)N1CCCC1)[N+]([O-])=O)=CC(=O)O2
InChIKey
InChIKey=YDOAWODZRZSEFZ-UHFFFAOYSA-N
Formula
C21H20N2O8S
Mass
460.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Nitrophenyl ethers 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Organosulfonamides Sulfonyls Pyrrolidines Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Organic salts Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Coumarin - 1-benzopyran - Benzenesulfonamide - Benzopyran - Benzenesulfonyl group - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Pyran - Sulfonyl - Organic sulfonic acid or derivatives - Pyrrolidine - Organosulfonic acid or derivatives - Heteroaromatic compound - Lactone - Organic nitro compound - C-nitro compound - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available